5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one

C11H12IN3OS — CID 137005930

IUPAC5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2csc(C)n2)[nH]c(=O)c1I
InChIInChI=1S/C11H12IN3OS/c1-3-4-7-9(12)11(16)15-10(14-7)8-5-17-6(2)13-8/h5H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyDWLCDCMWAJPWPT-UHFFFAOYSA-N
MW361.21 g/mol
LogP2.76
Rot. Bonds3

About 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one

5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 137005930) has the molecular formula C11H12IN3OS and a molecular weight of 361.21 g/mol. Its IUPAC name is 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID137005930
Molecular FormulaC11H12IN3OS
Molecular Weight361.21 g/mol
Exact Mass360.97
IUPAC Name5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2csc(C)n2)[nH]c(=O)c1I
InChIInChI=1S/C11H12IN3OS/c1-3-4-7-9(12)11(16)15-10(14-7)8-5-17-6(2)13-8/h5H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyDWLCDCMWAJPWPT-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005901
5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 137005906
5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 136784693
2-(3-bromo-4-methylphenyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136701869
2-(3,4-dihydroxyphenyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136889112
5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434746
2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136847774
8-(2-methyl-1,3-thiazol-4-yl)-3-propyl-7H-purine-2,6-dione
CID 115925487
N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72891553
4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790340
4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136831511
5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136930640

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one (CID 137005930) is 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2csc(C)n2)[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is DWLCDCMWAJPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3OS/c1-3-4-7-9(12)11(16)15-10(14-7)8-5-17-6(2)13-8/h5H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one?
5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 361.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137005930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).